SCHEMBL17091571

SCHEMBL17091571

CC(C)(C)c1ccc(C(=O)N[C@H]2[C@@H](O)[C@@H](CO)OC(SC3O[C@H](CO)[C@H](O)[C@H](NC(=O)c4ccc(C(C)(C)C)cc4)[C@H]3O)[C@@H]2O)cc1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 13/20 0.74
▸ LGALS1 P09382 8/20 0.74
▸ LGALS9 O00182 6/20 0.74
▸ LGALS7; LGALS7B P47929 5/20 0.74
▸ LGALS8 O00214 2/20 0.64
▸ HK1 P19367 1/20 0.47
▸ HK2 P52789 1/20 0.47
▸ CA1 P00915 5/20 0.44
▸ CA2 P00918 5/20 0.44
▸ CA9 Q16790 5/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2434972 1.00 LGALS3 (0.74) LGALS3LGALS1LGALS9LGALS7; LGALS7BLGALS8
SCHEMBL2434970 1.00 LGALS3 (0.74) LGALS3LGALS1LGALS9LGALS7; LGALS7BLGALS8
SCHEMBL2430098 0.88 LGALS3 (0.77) LGALS3LGALS1LGALS9LGALS7; LGALS7BLGALS8
SCHEMBL2430103 0.88 LGALS3 (0.77) LGALS3LGALS1LGALS9LGALS7; LGALS7BLGALS8
SCHEMBL5450852 0.88 LGALS3 (0.77) LGALS3LGALS1LGALS9LGALS7; LGALS7BLGALS8
SCHEMBL2432200 0.86 LGALS3 (0.74) LGALS3LGALS1LGALS9LGALS7; LGALS7BLGALS8
SCHEMBL2432203 0.86 LGALS3 (0.74) LGALS3LGALS1LGALS9LGALS7; LGALS7BLGALS8
SCHEMBL2430865 0.85 LGALS3 (0.77) LGALS3LGALS1LGALS9LGALS7; LGALS7BLGALS8
SCHEMBL2430861 0.85 LGALS3 (0.77) LGALS3LGALS1LGALS9LGALS7; LGALS7BLGALS8
SCHEMBL22790271 0.85 LGALS3 (1.00) LGALS3LGALS1LGALS9LGALS7; LGALS7BLGALS8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2919802-A1 METHODS, COMPOSITIONS AND KITS FOR TREATING, MODULATING, OR PREVENTING OCULAR ANGIOGENESIS OR FIBROSIS IN A SUBJECT USING A GALECTIN PROTEIN INHIBITOR Tufts University (US) 2015-09-23 — — EP disclosed
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